3-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]pyridin-2-amine

C13H11Cl2FN2O — CID 21111396

IUPAC3-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]pyridin-2-amine
SMILESCC(Oc1cccnc1N)c1c(Cl)ccc(F)c1Cl
InChIInChI=1S/C13H11Cl2FN2O/c1-7(19-10-3-2-6-18-13(10)17)11-8(14)4-5-9(16)12(11)15/h2-7H,1H3,(H2,17,18)
InChIKeyIEKMAKBQCRKWLS-UHFFFAOYSA-N
MW301.15 g/mol
LogP4.25
Rot. Bonds3

About 3-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]pyridin-2-amine

3-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]pyridin-2-amine (PubChem CID 21111396) has the molecular formula C13H11Cl2FN2O and a molecular weight of 301.15 g/mol. Its IUPAC name is 3-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]pyridin-2-amine.

Molecular Properties

Compound Name3-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]pyridin-2-amine
PubChem CID21111396
Molecular FormulaC13H11Cl2FN2O
Molecular Weight301.15 g/mol
Exact Mass300.02
IUPAC Name3-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]pyridin-2-amine
SMILESCC(Oc1cccnc1N)c1c(Cl)ccc(F)c1Cl
InChIInChI=1S/C13H11Cl2FN2O/c1-7(19-10-3-2-6-18-13(10)17)11-8(14)4-5-9(16)12(11)15/h2-7H,1H3,(H2,17,18)
InChIKeyIEKMAKBQCRKWLS-UHFFFAOYSA-N
XLogP4.25
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.15
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]pyridin-2-amine?
The IUPAC name of 3-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]pyridin-2-amine (CID 21111396) is 3-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]pyridin-2-amine.
What is the SMILES notation for 3-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]pyridin-2-amine?
The canonical SMILES for 3-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]pyridin-2-amine is CC(Oc1cccnc1N)c1c(Cl)ccc(F)c1Cl.
What is the InChIKey of 3-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]pyridin-2-amine?
The InChIKey is IEKMAKBQCRKWLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11Cl2FN2O/c1-7(19-10-3-2-6-18-13(10)17)11-8(14)4-5-9(16)12(11)15/h2-7H,1H3,(H2,17,18).
What are the key properties of 3-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]pyridin-2-amine?
3-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]pyridin-2-amine has a molecular weight of 301.15 g/mol, XLogP of 4.25, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]pyridin-2-amine is sourced from PubChem (CID 21111396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).